(1S,2S,3R)-2-(1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl)-3-(9H-xanthen-9-ylmethyl)cyclopropane-1-carboxylic acid

Systemtic Name: (1S,2S,3R)-2-(1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl)-3-(9H-xanthen-9-ylmethyl)cyclopropane-1-carboxylic acid Openeye Name: (1S,2S,3R)-2-(1-amino-2-hydroxy-2-oxo-ethyl)-3-(9H-xanthen-9-ylmethyl)cyclopropanecarboxylic acid CAS Name: (1S,2S,3R)-2-(1-amino-2-hydroxy-2-oxoethyl)-3-(9H-xanthen-9-ylmethyl)-1-cyclopropanecarboxylic acid IUPAC Name: (1S,2S,3R)-2-(1-amino-2-hydroxy-2-oxoethyl)-3-(9H-xanthen-9-ylmethyl)cyclopropane-1-carboxylic acid Traditional Name: (1S,2S,3R)-2-(1-amino-2-hydroxy-2-keto-ethyl)-3-(9H-xanthen-9-ylmethyl)cyclopropanecarboxylic acid Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)CC4C(C4C(=O)O)C(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C[C@@H]4[C@@H]([C@H]4C(=O)O)C(C(=O)O)N

InChI

InChI=1S/C20H19NO5/c21-18(20(24)25)16-13(17(16)19(22)23)9-12-10-5-1-3-7-14(10)26-15-8-4-2-6-11(12)15/h1-8,12-13,16-18H,9,21H2,(H,22,23)(H,24,25)/t13-,16+,17+,18?/m1/s1